ornl/hydragnn issues and pull requests

#100 - Add initial PI3NN example

Pull Request - State: closed - Opened by streeve almost 3 years ago - 2 comments

#100 - Add initial PI3NN example

Pull Request - State: closed - Opened by streeve almost 3 years ago - 2 comments

#99 - Update test error threshold

Pull Request - State: closed - Opened by streeve almost 3 years ago

#99 - Update test error threshold

Pull Request - State: closed - Opened by streeve almost 3 years ago

#98 - fix a bug in data loading

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago
Labels: bug

#98 - fix a bug in data loading

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago
Labels: bug

#97 - Compositional histogram cutoff

Pull Request - State: closed - Opened by allaffa almost 3 years ago - 3 comments

#97 - Compositional histogram cutoff

Pull Request - State: closed - Opened by allaffa almost 3 years ago - 3 comments

#96 - Logging feature

Pull Request - State: closed - Opened by jychoi-hpc almost 3 years ago - 7 comments

#96 - Logging feature

Pull Request - State: closed - Opened by jychoi-hpc almost 3 years ago - 7 comments

#95 - CFG data loader

Pull Request - State: closed - Opened by allaffa almost 3 years ago - 1 comment
Labels: enhancement

#95 - CFG data loader

Pull Request - State: closed - Opened by allaffa almost 3 years ago - 1 comment
Labels: enhancement

#94 - Periodic boundary conditions

Pull Request - State: closed - Opened by allaffa almost 3 years ago - 3 comments
Labels: enhancement

#94 - Periodic boundary conditions

Pull Request - State: closed - Opened by allaffa almost 3 years ago - 3 comments
Labels: enhancement

#93 - Fixup tests

Pull Request - State: closed - Opened by streeve almost 3 years ago - 4 comments

#93 - Fixup tests

Pull Request - State: closed - Opened by streeve almost 3 years ago - 4 comments

#92 - update for GLOO ddp setup

Pull Request - State: closed - Opened by jychoi-hpc almost 3 years ago

#92 - update for GLOO ddp setup

Pull Request - State: closed - Opened by jychoi-hpc almost 3 years ago

#91 - Add linting

Issue - State: open - Opened by streeve almost 3 years ago

#91 - Add linting

Issue - State: open - Opened by streeve almost 3 years ago

#90 - Wrap up config updates in to utils

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago

#90 - Wrap up config updates in to utils

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago

#89 - Make Ising example configurable

Pull Request - State: closed - Opened by streeve almost 3 years ago

#89 - Make Ising example configurable

Pull Request - State: closed - Opened by streeve almost 3 years ago

#88 - Map data from CPU to GPU batch by batch if the total dataset is too large to fit onto the GPU

Issue - State: closed - Opened by allaffa almost 3 years ago - 1 comment

#88 - Map data from CPU to GPU batch by batch if the total dataset is too large to fit onto the GPU

Issue - State: closed - Opened by allaffa almost 3 years ago - 1 comment

#87 - Ising model

Pull Request - State: closed - Opened by allaffa almost 3 years ago - 3 comments

#87 - Ising model

Pull Request - State: closed - Opened by allaffa almost 3 years ago - 3 comments

#86 - Remove num_nodes_list

Pull Request - State: closed - Opened by streeve almost 3 years ago

#86 - Remove num_nodes_list

Pull Request - State: closed - Opened by streeve almost 3 years ago

#85 - Check Cuda enabled for profiler

Pull Request - State: closed - Opened by streeve almost 3 years ago

#85 - Check Cuda enabled for profiler

Pull Request - State: closed - Opened by streeve almost 3 years ago

#84 - citation file added

Pull Request - State: closed - Opened by allaffa almost 3 years ago
Labels: documentation

#84 - citation file added

Pull Request - State: closed - Opened by allaffa almost 3 years ago
Labels: documentation

#83 - [Feature Request 🚀] Add a `CITATION.cff`

Issue - State: closed - Opened by SauravMaheshkar almost 3 years ago - 1 comment
Labels: documentation

#83 - [Feature Request 🚀] Add a `CITATION.cff`

Issue - State: closed - Opened by SauravMaheshkar almost 3 years ago - 1 comment
Labels: documentation

#82 - Fixing bug in normalization

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago
Labels: bug

#82 - Fixing bug in normalization

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago
Labels: bug

#81 - Stratified splitting

Pull Request - State: closed - Opened by allaffa almost 3 years ago
Labels: enhancement

#81 - Stratified splitting

Pull Request - State: closed - Opened by allaffa almost 3 years ago
Labels: enhancement

#80 - optimize get_head_indices with tensor operations

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago - 4 comments
Labels: performance

#80 - optimize get_head_indices with tensor operations

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago - 4 comments
Labels: performance

#79 - Test add precommit

Pull Request - State: closed - Opened by allaffa almost 3 years ago - 2 comments

#79 - Test add precommit

Pull Request - State: closed - Opened by allaffa almost 3 years ago - 2 comments

#78 - Set nonzero verbosity

Pull Request - State: closed - Opened by streeve almost 3 years ago

#78 - Set nonzero verbosity

Pull Request - State: closed - Opened by streeve almost 3 years ago

#77 - Simplify output name

Pull Request - State: closed - Opened by streeve almost 3 years ago

#77 - Simplify output name

Pull Request - State: closed - Opened by streeve almost 3 years ago

#76 - Add `precommit`

Pull Request - State: closed - Opened by SauravMaheshkar almost 3 years ago - 1 comment
Labels: enhancement

#76 - Add `precommit`

Pull Request - State: closed - Opened by SauravMaheshkar almost 3 years ago - 1 comment
Labels: enhancement

#75 - Add pre-commit to make contributing easy.

Issue - State: closed - Opened by SauravMaheshkar almost 3 years ago - 1 comment

#75 - Add pre-commit to make contributing easy.

Issue - State: closed - Opened by SauravMaheshkar almost 3 years ago - 1 comment

#74 - Enable interactive plots

Issue - State: open - Opened by streeve almost 3 years ago

#74 - Enable interactive plots

Issue - State: open - Opened by streeve almost 3 years ago

#73 - Move data to device from loaders

Pull Request - State: closed - Opened by streeve almost 3 years ago - 2 comments

#73 - Move data to device from loaders

Pull Request - State: closed - Opened by streeve almost 3 years ago - 2 comments

#72 - Use DFT data for unit test

Issue - State: closed - Opened by allaffa almost 3 years ago - 1 comment

#72 - Use DFT data for unit test

Issue - State: closed - Opened by allaffa almost 3 years ago - 1 comment

#71 - data.batch is remapped to the same device as data.x

Pull Request - State: closed - Opened by allaffa almost 3 years ago
Labels: bug

#71 - data.batch is remapped to the same device as data.x

Pull Request - State: closed - Opened by allaffa almost 3 years ago
Labels: bug

#70 - Revert "Move data to the device once"

Pull Request - State: closed - Opened by allaffa almost 3 years ago - 1 comment

#70 - Revert "Move data to the device once"

Pull Request - State: closed - Opened by allaffa almost 3 years ago - 1 comment

#69 - mapping of PNA degree tensor to GPU

Pull Request - State: closed - Opened by allaffa almost 3 years ago
Labels: bug

#69 - mapping of PNA degree tensor to GPU

Pull Request - State: closed - Opened by allaffa almost 3 years ago
Labels: bug

#68 - Map pna degree to gpu

Pull Request - State: closed - Opened by allaffa almost 3 years ago
Labels: bug

#68 - Map pna degree to gpu

Pull Request - State: closed - Opened by allaffa almost 3 years ago
Labels: bug

#67 - frequency relaxed

Pull Request - State: closed - Opened by allaffa almost 3 years ago

#67 - frequency relaxed

Pull Request - State: closed - Opened by allaffa almost 3 years ago

#66 - save train/val/test pk files when raw total provided

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago - 2 comments

#66 - save train/val/test pk files when raw total provided

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago - 2 comments

#65 - stratified splitting

Pull Request - State: closed - Opened by allaffa almost 3 years ago
Labels: enhancement

#65 - stratified splitting

Pull Request - State: closed - Opened by allaffa almost 3 years ago
Labels: enhancement

#64 - Add missing license header

Pull Request - State: closed - Opened by streeve almost 3 years ago

#64 - Add missing license header

Pull Request - State: closed - Opened by streeve almost 3 years ago

#63 - added dashed red diagonal on scatterplot

Pull Request - State: closed - Opened by allaffa almost 3 years ago - 1 comment
Labels: enhancement

#63 - added dashed red diagonal on scatterplot

Pull Request - State: closed - Opened by allaffa almost 3 years ago - 1 comment
Labels: enhancement

#62 - Cross-validation capabilities

Issue - State: open - Opened by allaffa almost 3 years ago

#62 - Cross-validation capabilities

Issue - State: open - Opened by allaffa almost 3 years ago

#61 - Move data to the device once

Pull Request - State: closed - Opened by streeve almost 3 years ago
Labels: performance

#61 - Move data to the device once

Pull Request - State: closed - Opened by streeve almost 3 years ago
Labels: performance

#60 - Fix assertion warning

Pull Request - State: closed - Opened by streeve almost 3 years ago

#60 - Fix assertion warning

Pull Request - State: closed - Opened by streeve almost 3 years ago

#59 - Clean up error naming and list issues

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago - 5 comments

#59 - Clean up error naming and list issues

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago - 5 comments

#58 - update load_existing_model

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago
Labels: bug

#58 - update load_existing_model

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago
Labels: bug

#57 - !!Not for review/merge; for comparison only

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago - 1 comment

#57 - !!Not for review/merge; for comparison only

Pull Request - State: closed - Opened by pzhanggit almost 3 years ago - 1 comment

#56 - Utilities to compute formation enthalpy and Gibbs energy

Pull Request - State: closed - Opened by allaffa almost 3 years ago - 3 comments
Labels: enhancement

#56 - Utilities to compute formation enthalpy and Gibbs energy

Pull Request - State: closed - Opened by allaffa almost 3 years ago - 3 comments
Labels: enhancement

#55 - import os was missing

Pull Request - State: closed - Opened by allaffa almost 3 years ago
Labels: bug

#55 - import os was missing

Pull Request - State: closed - Opened by allaffa almost 3 years ago
Labels: bug

#54 - Adding profiling function

Pull Request - State: closed - Opened by jychoi-hpc almost 3 years ago - 1 comment

#54 - Adding profiling function

Pull Request - State: closed - Opened by jychoi-hpc almost 3 years ago - 1 comment

#53 - FIXED column indexing to access charge density and compute charge transfer

Pull Request - State: closed - Opened by allaffa almost 3 years ago
Labels: bug

GitHub / ornl/hydragnn issues and pull requests